MOLECULAR-DYNAMICS CALCULATIONS FOR SOLID BICYCLO (2.2.2) OCTANE

被引：17

作者：

NEUSY, E

NOSE, S

KLEIN, ML

机构：

来源：

MOLECULAR PHYSICS | 1984年 / 52卷 / 02期

关键词：

D O I：

10.1080/00268978400101211

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

引用

页码：269 / 279

页数：11

共 16 条

[1]

BEE M, 1982, J PHYS-PARIS, V43, P1797, DOI 10.1051/jphys:0198200430120179700

[2] X-RAY AND INFRA-RED STUDIES OF BICYCLO(2.2.2)OCTANE TRIETHYLENEDIAMINE AND QUINUCLIDINE .I. X-RAY STUDIES OF BICYCLO(2.2.2)OCTANE AND QUINUCLIDINE [J].

BRUESCH, P .

SPECTROCHIMICA ACTA, 1966, 22 (05) :861-&

[3] X-RAY AND INFRA-RED STUDIES OF BICYCLO(2.2.2)OCTANE TRIETHYLENEDIAMINE AND QUINUCLIDINE .3. ASSIGNMENTS OF HIGH AND LOW TEMPERATURE INFRA-RED SPECTRA . COMPARISON WITH X-RAY RESULTS [J].

BRUESCH, P ;

GUNTHARD, HH .

SPECTROCHIMICA ACTA, 1966, 22 (05) :877-&

[4] QUANTUM AND STATISTICAL MECHANICAL STUDIES OF LIQUIDS .10. TRANSFERABLE INTERMOLECULAR POTENTIAL FUNCTIONS FOR WATER, ALCOHOLS, AND ETHERS - APPLICATION TO LIQUID WATER [J].

JORGENSEN, WL .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1981, 103 (02) :335-340

[5] QUANTUM AND STATISTICAL MECHANICAL STUDIES OF LIQUIDS .24. REVISED TIPS FOR SIMULATIONS OF LIQUID WATER AND AQUEOUS-SOLUTIONS [J].

JORGENSEN, WL .

JOURNAL OF CHEMICAL PHYSICS, 1982, 77 (08) :4156-4163

[6] THE DYNAMICS OF MOLECULAR-REORIENTATION IN THE DISORDERED PHASE OF BICYCLO(2.2.2)OCTANE [J].

LEADBETTER, AJ ;

PIPER, J ;

RICHARDSON, RM ;

WRIGHTON, PG .

JOURNAL OF PHYSICS C-SOLID STATE PHYSICS, 1982, 15 (29) :5921-5936

[7] A STUDY OF SOLID AND LIQUID CARBON TETRAFLUORIDE USING THE CONSTANT PRESSURE MOLECULAR-DYNAMICS TECHNIQUE [J].

NOSE, S ;

KLEIN, ML .

JOURNAL OF CHEMICAL PHYSICS, 1983, 78 (11) :6928-6939

[8] STRUCTURAL TRANSFORMATIONS IN SOLID NITROGEN AT HIGH-PRESSURE [J].

NOSE, S ;

KLEIN, ML .

PHYSICAL REVIEW LETTERS, 1983, 50 (16) :1207-1210

[9] CONSTANT PRESSURE MOLECULAR-DYNAMICS FOR MOLECULAR-SYSTEMS [J].

NOSE, S ;

KLEIN, ML .

MOLECULAR PHYSICS, 1983, 50 (05) :1055-1076

[10] CRYSTAL-STRUCTURE AND PAIR POTENTIALS - A MOLECULAR-DYNAMICS STUDY [J].

PARRINELLO, M ;

RAHMAN, A .

PHYSICAL REVIEW LETTERS, 1980, 45 (14) :1196-1199

← 1 2 →